Mol:FL1AE9NS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 24 0 0 0 0 0 0 0 0999 V2000
-0.5346 -0.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5346 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0003 0.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4661 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4661 -0.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0003 -0.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0230 -0.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2931 -0.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0230 0.2819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8307 -0.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0995 0.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0851 -0.9920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8658 -0.7820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6470 -1.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1122 -1.2171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9317 0.3845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6543 0.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9317 0.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6543 1.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0995 1.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8221 0.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
1 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 2 1 0 0 0 0
8 10 2 0 0 0 0
10 11 1 0 0 0 0
7 12 2 0 0 0 0
5 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 6 1 0 0 0 0
4 16 1 0 0 0 0
11 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 11 1 0 0 0 0
S SKP 8
ID FL1AE9NS0001
KNApSAcK_ID C00002385
NAME 4,5-Methylenedioxy-6-hydroxyaurone;Cephalocerone;(Z)-4-Hydroxy-7-(phenylmethylene)-furo[3,2-e]-1,3-benzodioxol-8(7H)-one
CAS_RN 135383-79-8
FORMULA C16H10O5
EXACTMASS 282.05282343
AVERAGEMASS 282.2476
SMILES c(c4)ccc(c4)C=c(o3)c(=O)c(c13)c(O2)c(OC2)c(O)c1
M END
